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H-NTPDase-IN-2

CAT: 0804-HY-155806-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155806-01Size:1 mg
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Description
H-NTPDase-IN-2 (compound 3l) is a pan-inhibitor of h-NTPDase, with IC50s of 0.35 μM (h-NTPDase1), 4.81 μM (h-NTPDase2), 37.73 μM (h-NTPDase3), 10.32 μM (h-NTPDase8), respectively[1].
CAS Number
2939933-03-4
UNSPSC
12352005
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/h-ntpdase-in-2.html
Solubility
10 mM in DMSO
Smiles
CN(CC1=CC=CC=C1)C2=C3SC=C(C4=CC=NC=C4)C3=NC=N2
Molecular Formula
C19H16N4S
Molecular Weight
332.42
References & Citations
[1]Zaman G, et al. Synthesis of Thieno [3, 2‐d] pyrimidine Derivatives through Sequential SNAr and Suzuki Reactions as Selective h‐NTPDases Inhibitors[J]. ChemMedChem, 2023: e202300165. .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

h-NTPDase-IN-2
CAS Number2939933-03-4
PubChem CID168510596
IUPAC NameN-benzyl-N-methyl-7-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
Molecular FormulaC19H16N4S
Molecular Weight332.4
XLogP3.8
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity395
SMILES
CN(CC1=CC=CC=C1)C2=NC=NC3=C2SC=C3C4=CC=NC=C4
InChI
InChI=1S/C19H16N4S/c1-23(11-14-5-3-2-4-6-14)19-18-17(21-13-22-19)16(12-24-18)15-7-9-20-10-8-15/h2-10,12-13H,11H2,1H3
InChIKey
MZJHEOQMUQJEQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of h-NTPDase-IN-2
CAS: 2939933-03-4
CID: 168510596
Formula: C19H16N4S
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass332.10956770
Monoisotopic Mass332.10956770
Topological Polar Surface Area70.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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